UCSF

ZINC50068011

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 9.01 -41.35 1 5 1 51 287.424 10
Hi High (pH 8-9.5) 1.76 6.74 -7.93 0 5 0 50 286.416 10

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )